2-(4-Boc-piperazinyl)-2-phenylacetic acid

Base Information

• Chemical Name: 2-(4-Boc-piperazinyl)-2-phenylacetic acid
• CAS No.: 347186-49-6
• Molecular Formula: C17H24N2O4
• Molecular Weight: 320.39
• Hs Code.: 2933599090
• European Community (EC) Number: 636-898-1
• DSSTox Substance ID: DTXSID40376094
• Mol file: 347186-49-6.mol

Synonyms:347186-49-6;2-(4-BOC-PIPERAZINYL)-2-PHENYLACETIC ACID;2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylacetic acid;2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-phenylaceticacid;2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-2-phenylacetic acid;2-Piperazin-1-yl-2-phenylacetic acid, N4-BOC protected;rac-2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid;4-Boc-a-phenyl-1-piperazineacetic acid;2-{4-[(tert-Butyl)oxycarbonyl]piperazinyl}-2-phenylacetic acid;SCHEMBL1852622;DTXSID40376094;CHEBI:188667;QPEHPIVVAWESTM-UHFFFAOYSA-N;AMY16138;AR3764;MFCD01862496;4-(Carboxy-phenyl-methyl)-piperazine-1-carboxylic acid tert-butyl ester;AKOS015949656;1-Boc-4-(carboxyphenylmethyl)piperazine;AS-11505;2-(4-Boc-piperazino)-2-phenylacetic acid;CS-0171791;FT-0703390;EN300-150827;2-(4-Boc-piperazinyl)-2-phenylacetic acid, 97%;A822366;J-019729;2-(4-Boc-piperazino)-2-phenylacetic acid, purum, >=97.0% (HPLC);2-{4-[(TERT-BUTYL)OXYCARBONYL]PIPERAZINYL-2-PHENYLACETIC ACID;2-(4-tert-butoxycarbonylpiperazin-1-yl)-2-phenyl-acetic acid

Chemical Property of 2-(4-Boc-piperazinyl)-2-phenylacetic acid

Chemical Property:

• Vapor Pressure: 2.22E-08mmHg at 25°C
• Melting Point: 200-204 °C
• Refractive Index: 1.558
• Boiling Point: 436.2 °C at 760 mmHg
• PKA: 1.90±0.10(Predicted)
• Flash Point: 217.6 °C
• PSA: 70.08000
• Density: 1.205 g/cm³
• LogP: 2.24080
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 320.17360725
• Heavy Atom Count: 23
• Complexity: 419

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Boc-piperazinyl)-2-phenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 28-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C(=O)O

Technology Process of 2-(4-Boc-piperazinyl)-2-phenylacetic acid

There total 4 articles about 2-(4-Boc-piperazinyl)-2-phenylacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

tert-butyl 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylate (347186-48-5) → 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid (347186-49-6)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1039/c6md00578k

Reference yield:

bromo-phenyl-acetic acid methyl ester (37167-62-7,3042-81-7,61139-20-6) → 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid (347186-49-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 20 °C

2: lithium hydroxide; water / tetrahydrofuran / 12 h / 20 °C

With water; potassium carbonate; lithium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1039/c6md00578k

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid (347186-49-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 20 °C

2: lithium hydroxide; water / tetrahydrofuran / 12 h / 20 °C

With water; potassium carbonate; lithium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1039/c6md00578k

upstream raw materials:

bromo-phenyl-acetic acid methyl ester

tert-butyl 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylate

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

C₃₃H₄₀N₈O₄S₃

C₄₂H₅₆N₁₀O₆S₃

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